Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.34 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5506318 | 0.85 | CTSC (0.42) | CTSCTSHRPOLBALDH1A1MEN1 | |
| SCHEMBL28679839 | 0.85 | CTSC (0.42) | CTSCTSHRPOLBALDH1A1MEN1 | |
| SCHEMBL6250751 | 0.82 | TSHR (0.43) | CTSCTSHRPOLBALDH1A1MEN1 | |
| SCHEMBL5702318 | 0.78 | ALDH1A1 (0.40) | TSHRPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL9636589 | 0.76 | ACHE (0.45) | TSHRPOLBALDH1A1KMT2ALMNA | |
| Cyclopropane Carboxylic Acid SCHEMBL10978847 | 0.75 | ALDH1A1 (0.57) | TSHRALDH1A1MEN1KMT2ACA1 | |
| SCHEMBL28679838 | 0.74 | CTSC (0.41) | CTSCTSHRPOLBALDH1A1LMNA | |
| SCHEMBL5748972 | 0.73 | CYP2D6 (0.52) | CTSCTSHRMEN1KMT2ALMNA | |
| SCHEMBL5747307 | 0.73 | CYP2D6 (0.52) | CTSCTSHRMEN1KMT2ALMNA | |
| SCHEMBL22418410 | 0.73 | CYP2D6 (0.52) | CTSCTSHRMEN1KMT2ALMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1536017-B1 | Process for producing optically active octahydro-1H-indole-2-carboxylic acid | SUMITOMO CHEMICAL CO (JP) | 2007-04-18 | — | — | EP | claimed |
| EP-1536017-B1 | Process for producing optically active octahydro-1H-indole-2-carboxylic acid | SUMITOMO CHEMICAL CO (JP) | 2007-04-18 | — | — | EP | disclosed |
| EP-1536017-A3 | Process for producing optically active octahydro-1H-indole-2-carboxylic acid | Sumitomo Chemical Company, Limited (JP) | 2005-06-15 | — | — | EP | disclosed |
| EP-1536017-A2 | Process for producing optically active octahydro-1H-indole-2-carboxylic acid | Sumitomo Chemical Company, Limited (JP) | 2005-06-01 | — | — | EP | disclosed |